1-(3-Phenylisoxazol-5-yl)-2-((3-(trifluoromethyl)benzyl)thio)ethan-1-one CAS 478066-86-3
| CAS No. | 478066-86-3 |
| Molecular Formula | C19H14F3NO2S |
| Molecular Weight | 377.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 1-(3-Phenylisoxazol-5-yl)-2-((3-(trifluoromethyl)benzyl)thio)ethan-1-one (C19H14F3NO2S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
1-(3-Phenylisoxazol-5-yl)-2-((3-(trifluoromethyl)benzyl)thio)ethan-1-one (CAS 478066-86-3), molecular formula C19H14F3NO2S and molecular weight 377.38 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 1-(3-Phenylisoxazol-5-yl)-2-((3-(trifluoromethyl)benzyl)thio)ethan-1-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C19H14F3NO2S |
| Molecular Weight | 377.38 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Phenylisoxazol Standards
- 3-((2-Oxo-2-(3-phenylisoxazol-5-yl)ethyl)thio)-4-(pyridin-3-yl)-1H-1,2,4-triazol-5(4H)-one (CAS 712270-97-8)
- 3-Phenylisoxazol-5-yl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate (CAS 303987-03-3)
- 3-Phenylisoxazol-5-yl 2,4-dichlorobenzenesulfonate (CAS 320423-37-8)
- 2-((2-(5-Phenylisoxazol-3-yl)phenoxy)methyl)-4H-chromen-4-one (CAS 96440-20-9)
- (5-Phenylisoxazol-3-yl)(4-(pyrazin-2-yloxy)piperidin-1-yl)methanone (CAS 1448046-54-5)
- (5-Phenylisoxazol-3-yl)methyl 3,4-dichlorobenzoate (CAS 343374-57-2)
- (5-Phenylisoxazol-3-yl)methyl 3-(trifluoromethyl)benzoate (CAS 343374-56-1)
- (5-Phenylisoxazol-3-yl)(4-(thiophen-3-yl)piperidin-1-yl)methanone (CAS 1396799-01-1)
Recommended Standards
- (S)-2-((tert-Butoxycarbonyl)amino)-3,3-bis(4-fluorophenyl)propanoic acid (CAS 481055-29-2)
- 2-((1-Phenyl-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 688335-50-4)
- (R)-3-Methyl-3-(methylsulfonyl)-1-(1H-1,2,4-triazol-1-yl)-2-(4-(trifluoromethyl)phenyl)butan-2-ol (CAS 136067-87-3)
- 3-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-5-one (CAS 478032-74-5)
- 3-(2-Chlorophenoxy)piperidine (CAS 902837-29-0)
- [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol (CAS 1094389-23-7)
- 4,4-Dimethoxybut-1-yne (CAS 33639-45-1)
- Neratinib Impurity 43 (CAS 1222172-49-7)
- Ethyl 4-((5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoate (CAS 1706454-77-4)
- 2-((4-Oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide (CAS 37029-36-0)
- Clomifene EP Impurity B (CAS 796-77-0)
- (4aR)-3-((1-(2-fluoro-4-nitrophenyl)piperazin-2-yl)methyl)-8-nitro-1,2,3,4,4a,5-hexahydrobenzo[b]pyrazino[1,2-d][1,4]oxazine hydrochloride (CAS CATO-C3D-262467)
- Ethyl 3,5-dimethylisonicotinate (CAS 1256561-29-1)
- Neuropeptide K, porcine (CAS 106441-70-7)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com